Chemical ID: 4909769

C[n+]1cc2cc(c(cc2c3c1c4cc(c(cc4cc3)OC)O)OC)OC
Chemical ID:
4909769
Name [?]:
None
SMILES [?]:
C[n+]1cc2cc(c(cc2c3c1c4cc(c(cc4cc3)OC)O)OC)OC
InChi [?]:
InChI=1/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)10-15(13)14-6-5-12-7-18(24-2)17(23)9-16(12)21(14)22/h5-11H,1-4H3/p+1
InChi Info:
AuxInfo=1/1/N:1,21,26,24,18,19,16,5,13,8,3,17,4,10,9,12,14,15,6,7,11,2,22,20,25,23/CRV:22+1,23-1/rA:26nCN+CCCCCCCCCCCCCCCCCOCOOCOC/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s17;s10d18;s15;s20;s14;s7;s23;s6;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20NO4+
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-23.436
Area:530.352
Solvation:-36.6948
Coulombic:-12.8002
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:350.388
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):-0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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